methyl 3-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-methyl-benzoate

Systemtic Name: methyl 3-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-methyl-benzoate Openeye Name: methyl 4-methyl-3-(quinuclidin-3-ylamino)benzoate CAS Name: 3-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-methylbenzoate Traditional Name: 4-methyl-3-(quinuclidin-3-ylamino)benzoic acid methyl ester Formula: C16H22N2O2 MolecularWeight: 274.35808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC2CN3CCC2CC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC2CN3CCC2CC3

InChI

InChI=1S/C16H22N2O2/c1-11-3-4-13(16(19)20-2)9-14(11)17-15-10-18-7-5-12(15)6-8-18/h3-4,9,12,15,17H,5-8,10H2,1-2H3